[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane

C12H25PS — CID 25208506

IUPAC[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCCCCC(/C=C(\C)P(C)(C)=S)CC
InChIInChI=1S/C12H25PS/c1-6-8-9-12(7-2)10-11(3)13(4,5)14/h10,12H,6-9H2,1-5H3/b11-10+
InChIKeyXQBISDMTNVEDGB-ZHACJKMWSA-N
MW232.37 g/mol
LogP4.85
Rot. Bonds6

About [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane

[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 25208506) has the molecular formula C12H25PS and a molecular weight of 232.37 g/mol. Its IUPAC name is [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID25208506
Molecular FormulaC12H25PS
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCCCCC(/C=C(\C)P(C)(C)=S)CC
InChIInChI=1S/C12H25PS/c1-6-8-9-12(7-2)10-11(3)13(4,5)14/h10,12H,6-9H2,1-5H3/b11-10+
InChIKeyXQBISDMTNVEDGB-ZHACJKMWSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-dibromo-3-ethylhept-1-ene
CID 86711721
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
3-ethylhept-1-ene
CID 12923943
(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
CID 46189708
(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
3-methylheptane;sulfane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173302962
2-ethylhexanal;2-methylprop-2-enamide
CID 174294578
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;phosphane
CID 174518467
2-ethylhexanal;methane
CID 139299505
(3R)-3-ethyloct-1-ene
CID 50898077

Frequently Asked Questions

What is the IUPAC name of [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane (CID 25208506) is [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane is CCCCC(/C=C(\C)P(C)(C)=S)CC.
What is the InChIKey of [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is XQBISDMTNVEDGB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H25PS/c1-6-8-9-12(7-2)10-11(3)13(4,5)14/h10,12H,6-9H2,1-5H3/b11-10+.
What are the key properties of [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 232.37 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 25208506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).